Information card for entry 7124659

Structure parameters

• Common name: perfluororubrene, F28-rubrene
• Chemical name: 5,6,11,12-tetrakis(perfluorophenyl)1,2,3,4,7,8,9,10-octafluorotetracene- perfluororubrene chloroform solvate
• Formula: C42 F28
• Calculated formula: C42 F28
• Title of publication: Synthesis, electrochemical properties, and crystal packing of perfluororubrene.
• Authors of publication: Zhang, Zhuoran; Ogden, William A.; Young, Victor G.; Douglas, Christopher J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 52
• Pages of publication: 8127 - 8130
• a: 8.45 ± 0.0004 Å
• b: 11.0004 ± 0.0005 Å
• c: 42.68 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3967.3 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 2
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No